methyl 2-methyl-2-[(2S)-5-methyl-6-oxooxan-2-yl]propanoate

C11H18O4 — CID 134847487

IUPACmethyl 2-methyl-2-[(2S)-5-methyl-6-oxooxan-2-yl]propanoate
SMILESCOC(=O)C(C)(C)[C@@H]1CCC(C)C(=O)O1
InChIInChI=1S/C11H18O4/c1-7-5-6-8(15-9(7)12)11(2,3)10(13)14-4/h7-8H,5-6H2,1-4H3/t7?,8-/m0/s1
InChIKeyUGJXDTMRFBPJQQ-MQWKRIRWSA-N
MW214.26 g/mol
LogP1.53
Rot. Bonds2

About methyl 2-methyl-2-[(2S)-5-methyl-6-oxooxan-2-yl]propanoate

methyl 2-methyl-2-[(2S)-5-methyl-6-oxooxan-2-yl]propanoate (PubChem CID 134847487) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is methyl 2-methyl-2-[(2S)-5-methyl-6-oxooxan-2-yl]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[(2S)-5-methyl-6-oxooxan-2-yl]propanoate
PubChem CID134847487
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Namemethyl 2-methyl-2-[(2S)-5-methyl-6-oxooxan-2-yl]propanoate
SMILESCOC(=O)C(C)(C)[C@@H]1CCC(C)C(=O)O1
InChIInChI=1S/C11H18O4/c1-7-5-6-8(15-9(7)12)11(2,3)10(13)14-4/h7-8H,5-6H2,1-4H3/t7?,8-/m0/s1
InChIKeyUGJXDTMRFBPJQQ-MQWKRIRWSA-N
XLogP1.53
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[(2S)-5-methyl-6-oxooxan-2-yl]propanoate?
The IUPAC name of methyl 2-methyl-2-[(2S)-5-methyl-6-oxooxan-2-yl]propanoate (CID 134847487) is methyl 2-methyl-2-[(2S)-5-methyl-6-oxooxan-2-yl]propanoate.
What is the SMILES notation for methyl 2-methyl-2-[(2S)-5-methyl-6-oxooxan-2-yl]propanoate?
The canonical SMILES for methyl 2-methyl-2-[(2S)-5-methyl-6-oxooxan-2-yl]propanoate is COC(=O)C(C)(C)[C@@H]1CCC(C)C(=O)O1.
What is the InChIKey of methyl 2-methyl-2-[(2S)-5-methyl-6-oxooxan-2-yl]propanoate?
The InChIKey is UGJXDTMRFBPJQQ-MQWKRIRWSA-N. The full InChI is InChI=1S/C11H18O4/c1-7-5-6-8(15-9(7)12)11(2,3)10(13)14-4/h7-8H,5-6H2,1-4H3/t7?,8-/m0/s1.
What are the key properties of methyl 2-methyl-2-[(2S)-5-methyl-6-oxooxan-2-yl]propanoate?
methyl 2-methyl-2-[(2S)-5-methyl-6-oxooxan-2-yl]propanoate has a molecular weight of 214.26 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[(2S)-5-methyl-6-oxooxan-2-yl]propanoate is sourced from PubChem (CID 134847487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).